1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine

C18H20FN5S — CID 20926609

IUPAC1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine
SMILESFc1ccc(CNCc2cccn2-c2nnc(N3CCCC3)s2)cc1
InChIInChI=1S/C18H20FN5S/c19-15-7-5-14(6-8-15)12-20-13-16-4-3-11-24(16)18-22-21-17(25-18)23-9-1-2-10-23/h3-8,11,20H,1-2,9-10,12-13H2
InChIKeyUQGIVDJPSRSGKB-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.36
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine

1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine (PubChem CID 20926609) has the molecular formula C18H20FN5S and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine
PubChem CID20926609
Molecular FormulaC18H20FN5S
Molecular Weight357.46 g/mol
Exact Mass357.14
IUPAC Name1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine
SMILESFc1ccc(CNCc2cccn2-c2nnc(N3CCCC3)s2)cc1
InChIInChI=1S/C18H20FN5S/c19-15-7-5-14(6-8-15)12-20-13-16-4-3-11-24(16)18-22-21-17(25-18)23-9-1-2-10-23/h3-8,11,20H,1-2,9-10,12-13H2
InChIKeyUQGIVDJPSRSGKB-UHFFFAOYSA-N
XLogP3.36
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine (CID 20926609) is 1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine is Fc1ccc(CNCc2cccn2-c2nnc(N3CCCC3)s2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine?
The InChIKey is UQGIVDJPSRSGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5S/c19-15-7-5-14(6-8-15)12-20-13-16-4-3-11-24(16)18-22-21-17(25-18)23-9-1-2-10-23/h3-8,11,20H,1-2,9-10,12-13H2.
What are the key properties of 1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine?
1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine has a molecular weight of 357.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine is sourced from PubChem (CID 20926609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).